UCSF

ZINC07323155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.49 -24.08 1 8 0 99 401.444 6
Hi High (pH 8-9.5) 2.26 7.85 -67.26 0 8 -1 101 400.436 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )